N'-oxidanyl-N-[4-[2-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3-dioxan-4-yl]phenyl]octanediamide

Systemtic Name: N'-oxidanyl-N-[4-[2-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3-dioxan-4-yl]phenyl]octanediamide Openeye Name: 8-(hydroxyamino)-8-oxo-N-[4-[2-phenyl-6-(2-pyridylsulfanylmethyl)-1,3-dioxan-4-yl]phenyl]octanamide CAS Name: N'-hydroxy-N-[4-[2-phenyl-6-[(2-pyridinylthio)methyl]-1,3-dioxan-4-yl]phenyl]octanediamide IUPAC Name: N'-hydroxy-N-[4-[2-phenyl-6-(pyridin-2-ylsulfanylmethyl)-1,3-dioxan-4-yl]phenyl]octanediamide Traditional Name: 8-(hydroxyamino)-8-keto-N-[4-[2-phenyl-6-[(2-pyridylthio)methyl]-1,3-dioxan-4-yl]phenyl]caprylamide Formula: C30H35N3O5S MolecularWeight: 549.681

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(OC1C2=CC=C(C=C2)NC(=O)CCCCCCC(=O)NO)C3=CC=CC=C3)CSC4=CC=CC=N4

Isomeric SMILES

C1C(OC(OC1C2=CC=C(C=C2)NC(=O)CCCCCCC(=O)NO)C3=CC=CC=C3)CSC4=CC=CC=N4

InChI

InChI=1S/C30H35N3O5S/c34-27(12-6-1-2-7-13-28(35)33-36)32-24-17-15-22(16-18-24)26-20-25(21-39-29-14-8-9-19-31-29)37-30(38-26)23-10-4-3-5-11-23/h3-5,8-11,14-19,25-26,30,36H,1-2,6-7,12-13,20-21H2,(H,32,34)(H,33,35)